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DocumentationIdentifier: MM50325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50325 |
| SMILES |
O=CCCNC=NC=CF
|
| InChIKey |
OVAAKMUBZQLCNJ-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM456594
Similarity: 0.7294
Similarity to MM456594
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8435 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456592
Similarity: 0.7093
Similarity to MM456592
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8299 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456598
Similarity: 0.6854
Similarity to MM456598
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.8133 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
